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IC-87114

CAT: 0013-GTR19162342-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162342-01Size:500 mg
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Description
A potent and selective PI3Kδ inhibitor with IC50 of 0.5 uM; displays 58-fold selectivity over PI3Kγ, and >100-fold over PI3Kα and PI3Kβ; inhibits polarized morphology of neutrophils, fMLP-stimulated PIP3 production and chemotaxis; inhibits constitutive phosphorylation of Akt/PKB and suppresses AML cell proliferation; reduces vascular permeability in a murine model of asthma.
CAS Number
371242-69-2
Product Name Alternative
IC87114 | IC 87114
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=C1N (C2=CC=CC=C2C) C (CN3C=NC4=C (N) N=CN=C34) =NC5=C1C (C) =CC=C5
Molecular Formula
C22H19N7O
Molecular Weight
397.4326
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4 (3H) -Quinazolinone, 2-[ (6-amino-9H-purin-9-yl) methyl]-5-methyl-3- (2-methylphenyl) -

Chemical Information

IC 87114

IC-87114 is a member of the class of quinazolines that is quinazolin-4(3H)-one carrying (6-amino-9H-purin-9-yl)methyl, 2-methylphenyl and methyl substituents at positions 2, 3 and 5 respectively. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a member of 6-aminopurines, a member of quinazolines and a biaryl.

CAS Number371242-69-2
PubChem CID9908783
IUPAC Name2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Molecular FormulaC22H19N7O
Molecular Weight397.4
XLogP2.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity684
SMILES
CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N
InChI
InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
InChIKey
GNWHRHGTIBRNSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of IC 87114
CAS: 371242-69-2
CID: 9908783
Formula: C22H19N7O
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass397.16510826
Monoisotopic Mass397.16510826
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity684
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-10110-01IC-87114
452169-01IC 87114

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